(Q105257217)

English

9-(1,3-benzodioxol-5-yl)-4-[3,4-dihydroxy-5-(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

group of stereoisomers with the chemical formula C₃₄H₃₈O₁₆

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instance of

group of stereoisomers

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subclass of

arylnaphthalene-type lignan

1 reference

inferred from

arylnaphthalene-type lignan

mass

702.215985136 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈O₁₆

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canonical SMILES

O=C1OCC=2C(OC3OC(CO)C(OC4OCC(O)C(OC)C4OC)C(O)C3O)=C5C=C(OC)C(OC)=CC5=C(C=6C=CC=7OCOC7C6)C12

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found in taxon

Haplophyllum pedicellatum

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stated in

Diphyllin fromHaplophyllum alberti-regelii, H. bucharicum, andH. perforatum

Cleistanthus collinus

1 reference

stated in

Chemical constituents of Cleistanthus collinus (Roxb.)

Identifiers

InChI

InChI=1S/C34H38O16/c1-40-20-8-15-16(9-21(20)41-2)28(17-11-44-32(39)25(17)24(15)14-5-6-19-22(7-14)47-13-46-19)49-33-27(38)26(37)30(23(10-35)48-33)50-34-31(43-4)29(42-3)18(36)12-45-34/h5-9,18,23,26-27,29-31,33-38H,10-13H2,1-4H3

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InChIKey

SOUKMFVXMWFSFB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOUKMFVXMWFSFB-UHFFFAOYSA-N

(Q105257217)

9-(1,3-benzodioxol-5-yl)-4-[3,4-dihydroxy-5-(5-hydroxy-3,4-dimethoxyoxan-2-yl)oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

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